Geometry & MOs

Info

ID:	242082
PubChem CID:	96025620
Reduced:	ClON2C16H17 (1)
Stoich.:	ABC2D16E17 (1)
Weight, g/mol:	285.128427
ΔH_f, kcal/mol:	-18.94
Dipole, Da:	6.92
IP(EA), eV:	-8.89(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S)-1-(3-chloro-2-methylphenyl)-5,8-dimethyl-1,2,3,4-tetrahydroisoquinoline

Drug info:

PubChemData

Smile

CC1=C2CCN[C@@H](C2=C(C=C1)C)C3=CNC(=O)C(=C3)Cl

DOS

IR

Vibrations